| SpectraBase Compound ID | EnMMTvcOK9d |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-2-9-19-14(17)7-4-8-15(18)20-11-12-5-3-6-13(16)10-12/h3,5-6,10H,2,4,7-9,11H2,1H3 |
| InChIKey | FZNGWHAUQIEZJS-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IjrzqUmE7lH |
|---|---|
| Name | Glutaric acid, 3-chlorobenzyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-2-9-19-14(17)7-4-8-15(18)20-11-12-5-3-6-13(16)10-12/h3,5-6,10H,2,4,7-9,11H2,1H3 |
| InChIKey | FZNGWHAUQIEZJS-UHFFFAOYSA-N |
| SMILES | C(OCC1=CC=CC(=C1)Cl)(=O)CCCC(OCCC)=O |